cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone

C19H26N4OS — CID 133409423

IUPACcyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc2c(NC3CCN(C(=O)C4CCCCC4)CC3)ncnc2s1
InChIInChI=1S/C19H26N4OS/c1-13-11-16-17(20-12-21-18(16)25-13)22-15-7-9-23(10-8-15)19(24)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H,20,21,22)
InChIKeyGSBVAFJLCJOXEC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.98
Rot. Bonds3

About cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone

cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 133409423) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID133409423
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namecyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc2c(NC3CCN(C(=O)C4CCCCC4)CC3)ncnc2s1
InChIInChI=1S/C19H26N4OS/c1-13-11-16-17(20-12-21-18(16)25-13)22-15-7-9-23(10-8-15)19(24)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H,20,21,22)
InChIKeyGSBVAFJLCJOXEC-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 133409423) is cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc2c(NC3CCN(C(=O)C4CCCCC4)CC3)ncnc2s1.
What is the InChIKey of cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is GSBVAFJLCJOXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-11-16-17(20-12-21-18(16)25-13)22-15-7-9-23(10-8-15)19(24)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H,20,21,22).
What are the key properties of cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133409423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).